SCHEMBL8438142

SCHEMBL8438142

O=C(N[C@H]1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
EPHX2 P34913 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
F13A1 P00488 2/20 0.38
TGM2 P21980 2/20 0.38
TGM1 P22735 2/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8438145 1.00 HSD11B1 (0.41) HSD11B1EPHX2SIGMAR1DPP8DPP9
SCHEMBL8438547 1.00 HSD11B1 (0.41) HSD11B1EPHX2SIGMAR1DPP8DPP9
SCHEMBL8440457 0.93 TDP1 (0.41) DPP8DPP9ALDH1A1LMNATDP1
SCHEMBL8104455 0.91 HSD11B1 (0.37) HSD11B1EPHX2SIGMAR1DPP8DPP9
SCHEMBL8576589 0.90 HSD11B1 (0.38) HSD11B1EPHX2SIGMAR1DPP8DPP9
SCHEMBL7455087 0.90 CTRB1 (0.42) ALDH1A1LMNAMAPTKMT2ARAB9A
SCHEMBL7455094 0.90 CTRB1 (0.42) ALDH1A1LMNAMAPTKMT2ARAB9A
SCHEMBL8102832 0.90 CTRB1 (0.42) ALDH1A1LMNAMAPTKMT2ARAB9A
SCHEMBL8102837 0.90 CTRB1 (0.42) ALDH1A1LMNAMAPTKMT2ARAB9A
SCHEMBL8437704 0.89 CTSK (0.37) HSD11B1EPHX2SIGMAR1DPP8DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed